Current Computer-Aided Drug Design
Volume 17, 7 Issues, 2021
ISSN: 1875-6697 (Online)
ISSN: 1573-4099 (Print)
This journal supports open access
ISSN: 1875-6697 (Online)
ISSN: 1573-4099 (Print)
This journal supports open access
In the current pandemic scenario, publication process of all articles related to Coronavirus will be expedited, for timely publication of much needed research
Contents
Current Computer-Aided Drug Design, Volume 11 - Number 3
Meet Our Editorial Board Member:
, 11(3): 195 - 196Alexandru T. Balaban
DOI: 10.2174/157340991103151124190437
Editorial
Editorial: Big Data and New Drug Discovery: Tackling “Big Data” for Virtual Screening of Large Compound Databases
, 11(3): 197 - 201Subhash C. Basak, Marjan Vracko and Apurba K. Bhattacharjee
DOI: 10.2174/157340991103151124190920
Analysis of Drug Design for a Selection of G Protein-Coupled Neuro- Receptors Using Neural Network Techniques
, 11(3): 202 - 211Claus Agerskov, Rasmus M. Mortensen and Henrik G. Bohr
DOI: 10.2174/1573409911666151014114325
Interaction studies of Withania somnifera’s key metabolite Withaferin A with different receptors associated with cardiovascular disease
, 11(3): 212 - 221Rekha Ravindran, Nitika Sharma, Sujata Roy, Ashoke R. Thakur, Subhadra Ganesh, Sriram Kumar, Jamuna Devi and Johanna Rajkumar
DOI: 10.2174/1573409912666151106115848
Ligand and Structure Based Models for the Identification of Beta 2 Adrenergic Receptor Antagonists
, 11(3): 222 - 236Jayadev Joshi, Manali Dimri, Subhajit Ghosh, Nitisha Shrivastava, Rina Chakraborti, Neeta Sehgal, Jharna Ray and Indracanti Prem Kumar
DOI: 10.2174/1573409911666150812130420
Comparison of performance of docking, LIE, metadynamics and QSAR in predicting binding affinity of benzenesulfonamides
, 11(3): 237 - 244Vytautas Raškevičius and Visvaldas Kairys
DOI: 10.2174/1573409911666150916092624
Combined 3D-QSAR and molecular docking study for identification of diverse natural products as potent Pf ENR inhibitors
, 11(3): 245 - 257Preeti Wadhwa, Debasmita Saha and Anuj Sharma
DOI: 10.2174/1573409911666151030102113
Molecular Modeling Investigation of Folic Acid Conjugation to MDM2 Inhibitors for Enhanced Cellular Uptake and Target Binding
, 11(3): 258 - 265Sachin P. Patil, Cassidy R. Kerezsi, Bridget M. Hicks and Alexandra H. Jednorski
DOI: 10.2174/1573409911666150812141216
FERN Ethnomedicinal Plant Database: Exploring fern ethnomedicinal plants knowledge for computational drug discovery
, 11(3): 266 - 271Sambhaji B. Thakar, Pradnya N. Ghorpade, Manisha V. Kale and Kailas D. Sonawane
DOI: 10.2174/1573409911666151103114738
Rational Design and Optimization of Trypsin Inhibitory Peptides with Antibacterial Activity
, 11(3): 272 - 278Xiaoqin Liu, Zhengling Wang, Jingming Cui and Wenli Su
DOI: 10.2174/1573409911666151103113741
Editor-in-Chief
Subhash C. Basak
University of Minnesota Duluth
Duluth, MN
(USA)
Biography
University of Minnesota Duluth
Duluth, MN
Biography
Biography of Subhash C. Basak
Dr. Subhash C. Basak, a Senior Scientist and Adjunct Professor at the University of Minnesota Duluth, has more than 40 years of experience in mathematical /computational chemistry and computer aided drug design. His research areas include: Development of novel topological Indices; hierarchical quantitative structure-activity relationship (HiQSAR); quantitative molecular similarity analysis (QMSA); tailored QMSA; descriptors of DNA/ RNA sequences; mathematical proteomics; chirality indices of chemicals; differential QSAR; mathematical nanotoxicoproteomics. He holds a PhD in Biochemistry from the University of Calcutta. Dr. Basak has published 268 research articles and has co-edited two books: 1) Advances in Mathematical Chemistry and Applications (Elsevier & Bentham) and 2) Statistical and Machine Learning Approaches for Network Analysis (Wiley). He is a member of the International Academy of Mathematical Chemistry.
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Journal History
Current Computer-Aided Drug Design was introduced in 2005 and Dr. Subhash C. Basak is acting as an Editor-in-Chief since 2012.
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